Talk:International Chemical Identifier

Incomplete Specification

It appears that there is no actual specification of InChi which is actually complete. All appears to be centered around the software that does it. The IUPAC site distributes software, in it there is a technical document, but it is not complete. Journal articles and presentations only talk about InChi and its layers but not precisely how the most important layer works: the connectivity layer. This information should be found somewhere and referenced. BTW, some links here are broken. Gschadow (talk) 15:39, 8 November 2013 (UTC)

Found one source http://depth-first.com/articles/2006/08/12/inchi-canonicalization-algorithm/ and figures the connection layer out myself. Gschadow (talk) 04:24, 9 November 2013 (UTC)

InChI generator at Cambridge

The external links to Cambridge U. appear to be dead, is this temporary? V8rik 21:29, 15 September 2005 (UTC)

So you think a direct link to the projects demo page would be beneficial here? There, you already have a .mol/.sdf ready for an upload, or sketch the structure from scratch and then generate the InChI locally (i.e., after loading the application, all data processing is in the web browser / nothing leaves your computer). Pythonik (talk) 13:49, 28 February 2025 (UTC)

We have upgraded our server. It is working now Petermr 11:34, 2 April 2006 (UTC)

Long InChIs

Many InChIs are too long to fit on a page. Some browsers (e.g. Firefox) will distort the layout if they are inline whereas others will wrap/break in the middle.

InChIs cannot be broken, so I suspect the best strategy in WP is to use a new paragraph to display the InChI and to position it where it isn't immediately after a float (image). Petermr 11:34, 2 April 2006 (UTC)

Merge

Proposed merge (in response to my previous PROD) of InChI Trust to International Chemical Identifier by User:Edgar181.

• Agree (As suggested in my previous PROD:) No attempt at notability. Serves as advertising for organisation. As non-commercial org, possibly a merge with InChI Trust Widefox (talk) 09:53, 22 November 2011 (UTC)
• I'd be happy with a merge of InChI Trust into International Chemical Identifier - COI declared. Rsc.kidd (talk) 08:33, 25 November 2011 (UTC)
• oppose each notable in own right, identifier existed before trust. Slowking4⇔ †@1₭ 15:25, 1 December 2011 (UTC)
• Support merge: The InChI trust only exists to oversee the InChI, and isn't especially notable on its own, so both can fit on the main InChI page. Walkerma (talk) 21:23, 18 March 2012 (UTC)
• Oppose: the InChI trust only exists to oversee the InChI, and defined the standards, but the standard is Open and exists in its own right. EgonWillighagen (talk) 12:01, 6 November 2012 (UTC)
• Oppose: The identifier is a standard and a software, the InChI Trust is an organization. They are just like Wikipedia and Wikimedia Foundation. I don't think they can be merged together.Timothy Gu (talk) 02:50, 3 December 2012 (UTC)

Nomination for deletion of Template:InChI

File:Ambox warning blue.svgTemplate:InChI has been nominated for deletion. You are invited to comment on the discussion at the template's entry on the Templates for discussion page. -- 70.51.200.101 (talk) 05:55, 11 February 2015 (UTC)

Readable?

Methinks the word "human-readable" in the lede is a bit overenthousiastic. After the opening line already said "textual", it could be just 'linear text code' or 'alphabetical' or so. -DePiep (talk) 19:57, 6 October 2015 (UTC)

External links modified

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External links modified

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• Added archive https://web.archive.org/web/20100330213717/http://www.iupac.org/inchi/release102final.html to http://www.iupac.org/inchi/release102final.html
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Further details missing

Currently, the site does not include how to actually read such an InChI. While the chemical formula is straightforward, already the connection layer is more complicated and could use a little extra explanation. I understand that InChI is not meant to be (overly) human readable, but a little more details would certainly help here. Martinalex000 (talk) 15:54, 4 May 2023 (UTC)